ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004864
RECORD_TITLE: 1-ISOBUTYL-4,9-DIMETHYLBICYCLO(3.2.2)NON-6-EN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-ISOBUTYL-4,9-DIMETHYLBICYCLO(3.2.2)NON-6-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O
CH$EXACT_MASS: 220.18272
CH$SMILES: CC(C)CC(C1)(C(=O)2)C([H])=C([H])C(C(C)C2)C(C)1
CH$IUPAC: InChI=1S/C15H24O/c1-10(2)8-15-6-5-13(12(4)9-15)11(3)7-14(15)16/h5-6,10-13H,7-9H2,1-4H3
CH$LINK: INCHIKEY UNRSPCPGOKWMSY-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00fs-1930000000-6bc27249ee5f03e6bdae
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  57 29.3 293
  72 19.7 197
  92 6.4 64
  93 1.54 15
  94 8 80
  106 5.3 53
  107 12.2 122
  119 1.73 17
  120 8.2 82
  131 6.4 64
  133 7.7 77
  134 0.61 6
  135 9 90
  145 14.9 149
  146 8.2 82
  148 2.77 28
  149 98.4 984
  150 36.2 362
  151 6.1 61
  159 0.96 10
  160 5.1 51
  161 16.2 162
  162 6.4 64
  163 1.44 14
  175 43.1 431
  176 20.2 202
  177 42.7 427
  178 1.13 11
  187 13.6 136
  202 10.2 102
  205 6.5 65
  220 99.99 999
  221 18.7 187
//
